SCHEMBL8303832

SCHEMBL8303832

CC1SCN(CCCCN2CCN(c3n[nH]c4cc(F)ccc34)CC2)C1=O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.39
HTR2A P28223 2/20 0.39
ADRA1B P35368 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
HTR7 P34969 2/20 0.36
MAPK1 P28482 1/20 0.36
HTR1A P08908 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9759749 0.86 PARP1 (0.46) HTR2ADRD2DRD3HTR7HTR1A
SCHEMBL8302347 0.81 DRD4 (0.43) DRD4HTR2A
SCHEMBL8303565 0.81 CYP2D6 (0.34) HTR2A
SCHEMBL8308708 0.79 HTR2A (0.37) DRD4HTR2ADRD2HTR1A
SCHEMBL8307627 0.79 HTR1A (0.37) HTR2ADRD2HTR1A
SCHEMBL9778524 0.78 HTR2A (0.44) HTR2ADRD2DRD3HTR7HTR1A
SCHEMBL8304798 0.78 DRD4 (0.44) DRD4HTR2A
SCHEMBL8307680 0.78 HTR2A (0.65) DRD4HTR2ADRD2HTR7
SCHEMBL7990176 0.77 DRD4 (0.45) DRD4HTR2AADRA1BDRD2DRD3
SCHEMBL8303613 0.77 DRD4 (0.43) DRD4HTR2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0458234-B1 3-[1,Thiazolidinylbutyl-4-piperazinyl]-1H-indazoles, a process for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1999-03-31 EP claimed
EP-0458234-A2 3-[1,Thiazolidinylbutyl-4-piperazinyl]-1H-indazoles, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-11-27 EP claimed
US-5041445-A Antipsychotic agents HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-08-20 US claimed
EP-0458234-B1 3-[1,Thiazolidinylbutyl-4-piperazinyl]-1H-indazoles, a process for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1999-03-31 EP disclosed